4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride

C14H23ClN2O2 — CID 119714850

IUPAC4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OC(C)C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(2)18-13-8-5-4-7-12(13)16-14(17)9-6-10-15-3;/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17);1H
InChIKeyUAHMCUNTIBNSSR-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.83
Rot. Bonds7

About 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride

4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride (PubChem CID 119714850) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
PubChem CID119714850
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccccc1OC(C)C.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(2)18-13-8-5-4-7-12(13)16-14(17)9-6-10-15-3;/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17);1H
InChIKeyUAHMCUNTIBNSSR-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[2-(1-phenylethoxy)phenyl]butanamide;hydrochloride
CID 119792496
4-(methylamino)-N-[2-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119714822
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride (CID 119714850) is 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride is CNCCCC(=O)Nc1ccccc1OC(C)C.Cl.
What is the InChIKey of 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride?
The InChIKey is UAHMCUNTIBNSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-11(2)18-13-8-5-4-7-12(13)16-14(17)9-6-10-15-3;/h4-5,7-8,11,15H,6,9-10H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride?
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119714850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).